1,4,4,5,5,6,6-heptamethylazocane

C14H29N — CID 154547970

IUPAC1,4,4,5,5,6,6-heptamethylazocane
SMILESCN1CCC(C)(C)C(C)(C)C(C)(C)CC1
InChIInChI=1S/C14H29N/c1-12(2)8-10-15(7)11-9-13(3,4)14(12,5)6/h8-11H2,1-7H3
InChIKeyCOZUYIMEMDNYRL-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds

About 1,4,4,5,5,6,6-heptamethylazocane

1,4,4,5,5,6,6-heptamethylazocane (PubChem CID 154547970) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,4,4,5,5,6,6-heptamethylazocane.

Molecular Properties

Compound Name1,4,4,5,5,6,6-heptamethylazocane
PubChem CID154547970
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,4,4,5,5,6,6-heptamethylazocane
SMILESCN1CCC(C)(C)C(C)(C)C(C)(C)CC1
InChIInChI=1S/C14H29N/c1-12(2)8-10-15(7)11-9-13(3,4)14(12,5)6/h8-11H2,1-7H3
InChIKeyCOZUYIMEMDNYRL-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n,n,3,3-Tetramethylheptan-1-amine
CID 256478
N,N-dimethyl-3,3-dipropylhexan-1-amine
CID 256502
1,5-Dimethylazocane
CID 20585723
N,N,4,4,5,5-hexamethylhexan-1-amine
CID 20706715
N,N-diethyl-4,4-dimethylhexan-1-amine
CID 21053843
5,5-Dimethyl-1-pentylazocane
CID 23377594
N,N-diethyl-4,5,5-trimethylhexan-1-amine
CID 23542039
4,12-Dimethyl-4,12-diazaspiro[7.7]pentadecane
CID 53890303
5-Tert-butyl-1-azabicyclo[3.3.1]nonane
CID 57606666
1,4-Di(propan-2-yl)azocane
CID 57665878
1-Methyl-5-propan-2-ylazocane
CID 58035842
1,5,5-Trimethylazocane
CID 58916216

Frequently Asked Questions

What is the IUPAC name of 1,4,4,5,5,6,6-heptamethylazocane?
The IUPAC name of 1,4,4,5,5,6,6-heptamethylazocane (CID 154547970) is 1,4,4,5,5,6,6-heptamethylazocane.
What is the SMILES notation for 1,4,4,5,5,6,6-heptamethylazocane?
The canonical SMILES for 1,4,4,5,5,6,6-heptamethylazocane is CN1CCC(C)(C)C(C)(C)C(C)(C)CC1.
What is the InChIKey of 1,4,4,5,5,6,6-heptamethylazocane?
The InChIKey is COZUYIMEMDNYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(2)8-10-15(7)11-9-13(3,4)14(12,5)6/h8-11H2,1-7H3.
What are the key properties of 1,4,4,5,5,6,6-heptamethylazocane?
1,4,4,5,5,6,6-heptamethylazocane has a molecular weight of 211.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,5,5,6,6-heptamethylazocane is sourced from PubChem (CID 154547970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).